(1s 2 2s 2 2p 4 3d 1 ) 4 P Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3d- electron | |
| 1 | 3d | 1.410781 | 1.11993696 |
| 2 | 3d | 4.224137 | .04185222 |
| 3 | 4d | 1.833006 | -.14461736 |
| 4 | 5d | 6.497163 | -.00352371 |
| 5 | 5d | 1.299829 | .01232178 |
| 6 | 4d | 25.458086 | .00003534 |
| ORB.ENERGY,a.u. | -.916960 | ||
| NORM | 1.000000 | < R > | 2.462776 | < R2 > | 7.025903 | < 1/R > | .484689 | < 1/R**2 > | .293417 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.519858 | 1.31003096 |
| 2 | 3p | 4.104604 | -.40551391 |
| 3 | 2p | 8.906599 | .08593797 |
| 4 | 4p | 10.140068 | .02427447 |
| 5 | 5p | 20.984487 | .00055576 |
| 6 | 5p | 2.786024 | .00505938 |
| 7 | 4p | 2.989595 | -.01176793 |
| 8 | 4p | 38.296233 | .00008134 |
| ORB.ENERGY,a.u. | -4.563300 | ||
| NORM | 1.000000 | < R > | .604935 | < R2 > | .453970 | < 1/R > | 2.149283 | < 1/R**2 > | 6.452977 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.818047 | .35001407 |
| 2 | 2s | 4.739735 | -.83362665 |
| 3 | 3s | 4.089273 | -.29549804 |
| 4 | 4s | 14.729951 | .01037435 |
| 5 | 3s | 16.481314 | .00495158 |
| 6 | 5s | 29.168137 | .00049910 |
| 7 | 5s | 3.418357 | -.00261592 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .649460 | < R2 > | .499969 | < 1/R > | 2.237291 | < 1/R**2 > | 20.537339 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248344 | .91829174 |
| 2 | 1s | 16.927762 | .07951263 |
| 3 | 2s | 6.357050 | .01947275 |
| 4 | 3s | 7.912145 | -.02012610 |
| 5 | 4s | 10.070643 | .00975794 |
| 6 | 5s | 28.476736 | .00098987 |
| 7 | 4s | 64.416497 | -.00005019 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130347 | < R2 > | .022846 | < 1/R > | 11.611150 | < 1/R**2 > | 272.317288 |
Total Energy= -192.91034182 a.u.
Kinetic Energy= 192.89997965 a.u.
Potential Energy= -385.81032147 a.u.
Virial Ratio = -2.00005372